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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_Mn/oer/M M	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1059.65911784; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_I/scan scan	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-16229.18334561; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/adBr adBr	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-16072.24408426; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/v_I v_I	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-1085.07032907; eV
	20-Jun-2025	/Mn_proj/Rec_MnOBr/Ireg Ireg	Benzidi, Hind	vasp; 6.4.2; 20Jul23 (build Apr 19 2024 10:32:06) complex	Single point	DFT	-	-15781.94186291; eV
	6-Sep-2024	/M06L/Mo Mo05O16-1H	Buils, Jordi	ADF; 2019	Single point	M06-L == Not Default ==	TZP	-
	16-Jan-2026	/FG_dataset/aromatics/zn/0001 zn-4411-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-110.67797434; eV
	16-Jul-2024	/M_Fe_N_din4_x2/M_Fe_N_din4_x2_c2_f/Cu_Fe_N_din4_x2_c2_f rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-632.33069882; eV
	16-Jul-2024	/M_Fe_N_din6_as/M_Fe_N_din6_as_c3_123/Pd_Fe_N_din6_as_c3_123 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-633.76190227; eV
	16-Jul-2024	/M_Fe_N_din6_s/M_Fe_N_din6_s_c1/Pt_Fe_N_din6_s_c1 dos	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-613.84247681; eV

Results 82451-82460 of 104124 (Search time: 0.052 seconds).